Basic information
- CAS
4593-97-9- Standard SMILES
COc1cc2c(cc1O)C(C)NCC2- InChIKey
CBMULJVNWNTWJM-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Overview
6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol is a member of isoquinolines.
Names & identifiers
- Preferred name
- Isosalsoline
- IUPAC
- 6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
- English name
- isosalsoline
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
Isosalsoline4593-97-97-Hydroxy-6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolineRefChem:1499471,2,3,4-tetrahydro-6-methoxy-1-methyl-7-isoquinolinol-6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-olCHEMBL555908NSC 131726NSC-131726Oprea1_046617CHEMBL1196096DTXSID40963463
Show more names
7-Isoquinolinol, 1,2,3,4-tetrahydro-6-methoxy-1-methyl-
CBMULJVNWNTWJM-UHFFFAOYSA-NCHEBI:125375HMS1648I04BDBM50014657NSC131726AKOS004907029CCG-2028121-Methyl-6-methoxy-7-hydroxy-tetrahydroisochinolin
Database identifiers
- CAS
4593-97-9- PubChem CID
- 46697
- DTXSID
DTXSID40963463- ChEMBL
CHEMBL1196096、CHEMBL555908- ChEBI
CHEBI:125375- Nikkaji
- J265.023A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 174 · 174-176 °C
- Boiling point
- 336.7 · 336.7±42.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- pka
- 10.28 · 10.28±0.40(Predicted)
Chemistry & industry
Suppliers2 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
Additional notes
DefinitionChEBI: 6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol is a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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